1-phenyl-2-(pyrimidin-2-ylamino)ethanol

C12H13N3O — CID 17119

IUPAC1-phenyl-2-(pyrimidin-2-ylamino)ethanol
SMILESOC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3O/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12/h1-8,11,16H,9H2,(H,13,14,15)
InChIKeyOHHIAWWXDMYFGP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.62
Rot. Bonds4

About 1-phenyl-2-(pyrimidin-2-ylamino)ethanol

1-phenyl-2-(pyrimidin-2-ylamino)ethanol (PubChem CID 17119) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-phenyl-2-(pyrimidin-2-ylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(pyrimidin-2-ylamino)ethanol
PubChem CID17119
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-phenyl-2-(pyrimidin-2-ylamino)ethanol
SMILESOC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3O/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12/h1-8,11,16H,9H2,(H,13,14,15)
InChIKeyOHHIAWWXDMYFGP-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
Phenyramidol Hydrochloride
CID 9469
Fenyripol Hydrochloride
CID 17118
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
2-[[2-[3-[4-[(Dimethylamino)methyl]phenyl]anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530121
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530275

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol?
The IUPAC name of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol (CID 17119) is 1-phenyl-2-(pyrimidin-2-ylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol is OC(CNc1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol?
The InChIKey is OHHIAWWXDMYFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12/h1-8,11,16H,9H2,(H,13,14,15).
What are the key properties of 1-phenyl-2-(pyrimidin-2-ylamino)ethanol?
1-phenyl-2-(pyrimidin-2-ylamino)ethanol has a molecular weight of 215.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(pyrimidin-2-ylamino)ethanol is sourced from PubChem (CID 17119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).